Data quality metrics extracted from 8xw9.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "d574e545f38696e99abb8932c4789e1d",
  "space_group_name": "P 43 2 2",
  "unit_cell": {
    "a": 81.464,
    "b": 81.464,
    "c": 398.910,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.90000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.74,1.75],
    "number_observations_unique": 136776,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.057
      },
      {
        "type": "R(meas)",
        "value": 0.063
      },
      {
        "type": "I/SigI",
        "value": 16.01
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 6.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.9990000000000001
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.85,1.75],
      "number_observations_unique": 21665,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.9359999999999999
        },
        {
          "type": "R(meas)",
          "value": 1.024
        },
        {
          "type": "CC(1/2)",
          "value": 0.672
        }
      ]
    },
    {
      "resolution_limits": [1.98,1.85],
      "number_observations_unique": 20438,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.508
        },
        {
          "type": "R(meas)",
          "value": 0.5529999999999999
        },
        {
          "type": "CC(1/2)",
          "value": 0.8909999999999999
        }
      ]
    },
    {
      "resolution_limits": [2.14,1.98],
      "number_observations_unique": 19153,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.27699999999999997
        },
        {
          "type": "R(meas)",
          "value": 0.302
        },
        {
          "type": "CC(1/2)",
          "value": 0.9640000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.34,2.14],
      "number_observations_unique": 17665,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.156
        },
        {
          "type": "R(meas)",
          "value": 0.171
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [2.62,2.34],
      "number_observations_unique": 16076,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.10300000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.113
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [3.02,2.62],
      "number_observations_unique": 14307,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.068
        },
        {
          "type": "R(meas)",
          "value": 0.07400000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.7,3.02],
      "number_observations_unique": 12188,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "R(meas)",
          "value": 0.047
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.21,3.70],
      "number_observations_unique": 9597,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        },
        {
          "type": "R(meas)",
          "value": 0.036000000000000004
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [40.74,5.21],
      "number_observations_unique": 5687,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "R(meas)",
          "value": 0.027000000000000003
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):